Search NASASearch

SEARCH · Search NASA

Results for “Modeling and Simulation”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

3,221 records · Page 34

Dense nuclear matter equation of state from heavy-ion collisions

The nuclear equation of state (EOS) is at the center of numerous theoretical and experimental efforts in nuclear physics. With advances in microscopic theories for nuclear interactions, the availability of experiments probing nuclear matter under conditions not reached before, endeavors to develop sophisticated and reliable transport simulations to interpret these experiments, and the advent of multi-messenger astronomy, the next decade will bring new opportunities for determining the nuclear matter EOS, elucidating its dependence on density, temperature, and isospin asymmetry. Among controlled terrestrial experiments, collisions of heavy nuclei at intermediate beam energies (from a few tens of MeV/nucleon to about 25 GeV/nucleon in the fixed-target frame) probe the widest ranges of baryon density and temperature, enabling studies of nuclear matter from a few tenths to about 5 times the nuclear saturation density and for temperatures from a few to well above a hundred MeV, respectively. Collisions of neutron-rich isotopes further bring the opportunity to probe effects due to the isospin asymmetry. However, capitalizing on the enormous scientific effort aimed at uncovering the dense nuclear matter EOS, both at RHIC and at FRIB as well as at other international facilities, depends on the continued development of state-of-the-art hadronic transport simulations. Furthermore, this white paper highlights the essential role that heavy-ion collision experiments and hadronic transport simulations play in understanding strong interactions in dense nuclear matter, with an emphasis on how these efforts can be used together with microscopic approaches and neutron star studies to uncover the nuclear EOS.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS

Multi-contrast machine learning improves schistosomiasis diagnostic performance

Schistosomiasis currently affects over 250 million people and remains a public health burden despite ongoing global control efforts. Conventional microscopy is a practical tool for diagnosis and screening ofSchistosoma haematobium, but identification of eggs requires a skilled microscopist. Here we present a machine learning (ML)-based strategy for automated detection ofS. haematobiumthat combines two imaging contrasts, brightfield (BF) and darkfield (DF), to improve diagnostic performance. We collected BF and DF images of urine samples, many of them containingS. haematobiumeggs, during two different field studies in Côte d’Ivoire using a mobile phone-based microscope, the SchistoScope. We then trained separate egg-detection ML models and compared the patient-level performance of BF and DF models alone to combinations of BF and DF models, using annotations from trained microscopists as the gold standard. We found that models trained on DF images, and almost all BF and DF combinations, performed significantly better than models trained on BF images only. When models were trained on images from the first field study (n = 349 patients, 748 images of each contrast), patient-level classification performance on patient images from the second study (n = 375 patients, 752 images of each contrast) met the WHO Diagnostic Target Product Profile (TPP) sensitivity and specificity for the monitoring and evaluation use case (sensitivity for all models and combinations was >75% when evaluated at a confidence score threshold that resulted in specificity >96.5%). When we used images from both field studies for the training set, performance of the models was improved. Overall, this work shows that the use of DF and BF increases the performance of ML models on images from devices with low-cost optics, while retaining the portability, power, and time-to-results of the WHO’s diagnostic TPP. DF requires no additional sample preparation and does not increase the complexity of the imaging system. It thus offers a practical means to improve performance of automated diagnostics forS. haematobiumas well as other microscopy-based diagnostics.

Infectious Diseases

Battery Pack Shape Optimization using Transient Heat Conduction Coupled with Cell-Discharge Analysis

Battery electric systems exhibit significant time-dependence, especially when evaluated in the context of an aircraft mission profile with continually changing power demands. Additionally, when evaluating battery-powered aircraft concepts, it is important to accurately compute the temperature of the batteries and properly characterize the thermal response of the system. The temperature of the batteries has a significant impact on cell performance, in addition to safety considerations of maintaining battery temperatures below their operating limit. Because of these considerations, battery models for preliminary design and optimization of aircraft should include the capability to accurately compute the temperature distribution within the battery pack. Furthermore, battery pack designs should be as light-weight as possible to maximize the pack energy density, while also considering battery temperature limits. Here, we demonstrate a simultaneous trajectory and shape optimization of a battery pack concept, using a transient heat transfer finite element model coupled with a time-varying cell-discharge battery model to provide this capability. The transient finite-element analysis is done using TACS, and the cell-discharge battery model uses OpenMDAO and dymos. Including the transient finite element problem in the loop enables accurate temperatures that can be passed back to the cell discharge model, while the cell discharge model can supply the finite element model with time-varying heat boundary conditions, further benefiting the fidelity of the thermal response of the batteries. We first demonstrate the coupling capability between the battery cell-discharge model and the transient finite-element heat transfer through an optimization which computes the optimal current profile for the battery pack while ensuring the battery temperatures remain below their operational limit. We then build on this optimization by adding shape optimization to the problem, which allows us to consider a composite objective function which also minimizes the mass of the battery pack, while also producing an optimal current discharge profile.

Optimization

The Effects of Lunar Dust on EVA Systems During the Apollo Missions

Mission documents from the six Apollo missions that landed on the lunar surface have been studied in order to catalog the effects of lunar dust on Extra-Vehicular Activity (EVA) systems, primarily the Apollo surface space suit. It was found that the effects could be sorted into nine categories: vision obscuration, false instrument readings, dust coating and contamination, loss of traction, clogging of mechanisms, abrasion, thermal control problems, seal failures, and inhalation and irritation. Although simple dust mitigation measures were sufficient to mitigate some of the problems (i.e., loss of traction) it was found that these measures were ineffective to mitigate many of the more serious problems (i.e., clogging, abrasion, diminished heat rejection). The severity of the dust problems were consistently underestimated by ground tests, indicating a need to develop better simulation facilities and procedures.

James R Gaier

The Effects of Lunar Dust on EVA Systems During the Apollo Missions

Mission documents from the six Apollo missions that landed on the lunar surface have been studied in order to catalog the effects of lunar dust on Extra-Vehicular Activity (EVA) systems, primarily the Apollo surface space suit. It was found that the effects could be sorted into nine categories: vision obscuration, false instrument readings, dust coating and contamination, loss of traction, clogging of mechanisms, abrasion, thermal control problems, seal failures, and inhalation and irritation. Although simple dust mitigation measures were sufficient to mitigate some of the problems (i.e., loss of traction) it was found that these measures were ineffective to mitigate many of the more serious problems (i.e., clogging, abrasion, diminished heat rejection). The severity of the dust problems were consistently underestimated by ground tests, indicating a need to develop better simulation facilities and procedures.

James R Gaier

Market participation strategy of hybrid energy resources: A New York ISO case study

Drawing on existing market designs with independent resource participation in electricity markets, this study analyzes participation models for hybrid resources combining renewable generation and storage. Two models are considered: in the first, the components operate independently, with the Independent System Operator (ISO) managing the storage state of charge (SoC); in the second, the hybrid resource acts as an integrated unit, submitting offers as a “black box” and managing its SoC internally. Using a production cost model for the zonal New York Bulk Power System, we evaluate trade-offs in system reliability, market efficiency, and asset profitability. Our results provide several key insights for policymakers, showing that the ISO-managed granular model enhances social welfare through explicit SoC management, while the simpler integrated model is more computationally efficient, but may cause more real-time violations and lower overall profits.

Bansal, Rajni Kant

Future Projection of Tropical Upper-Tropospheric Troughs and Implications for Tropical Cyclone Activity

Summertime tropical upper-tropospheric troughs (TUTTs) provide a unified framework to better understand how extratropical and tropical forcings jointly modulate basin-scale tropical cyclone (TC) activity. In this study, we examine future changes in TUTTs and their implications for TC activity. Multimodel ensemble-mean projections from 45 Coupled Model Intercomparison Project phase 6 (CMIP6) models suggest a contraction of the Pacific TUTT and an expansion of the Atlantic TUTT as the climate warms. Consistently, future changes in environment-based TC indices indicate that the large-scale conditions will become more favorable for TC genesis and intensification over the central North Pacific but less favorable over the tropical North Atlantic and Gulf of Mexico. Utilizing a TC-permitting large-ensemble dataset [i.e., the Database for Policy Decision-Making for Future Climate Change (d4PDF)] that adequately captures the observed interannual TUTT–TC relationships, we further confirm the impacts of projected TUTT changes on the TC activity in a warmer climate. In contrast, the TUTT–TC relationship is poorly represented in most CMIP6 High-Resolution Model Intercomparison Project (HighResMIP) models; such deficiencies call for caution when assessing future TC risk based on explicitly tracked TCs in these models. Additionally, CMIP6 projections show large intermodel spread in TUTT changes, implying uncertainty in projected TC activity, especially over the central-to-eastern Pacific and the North Atlantic. This intermodel spread is associated with interhemispheric sea surface temperature warming asymmetry, which leads to a meridional shift of the intertropical convergence zone (ITCZ) and the simultaneous weakening or strengthening of TUTTs in the North Pacific and North Atlantic. The potential contributions of anthropogenic aerosol forcing and oceanic circulation to this interhemispheric warming asymmetry are briefly examined.

Climate Change

Development of Novel Combustion Codes for Supercritical CO2 Combustion: Cooperative Research and Development Final Report, CRADA Number CRD-20-17182

The Allam-Fetvedt Cycle, a novel supercritical CO2 (sCO2) power cycle developed by 8 Rivers Capital, LLC, generates low-cost power from fossil fuels while capturing combustion-CO2. This cycle employs high-temperature oxy-combustion using sCO2 as the working fluid, leading to a challenging environment for materials. The most critical component for reliable deployment of this technology is the combustor-turbine interface. In the proposed partnership between NREL and 8 Rivers, we will develop a simulation-based tool to provide key design inputs for defining the materials and geometries required in this critical area.

09 BIOMASS FUELS

Sustainable Triacetic Acid Lactone Production from Sugarcane by Fermentation and Crystallization

Triacetic acid lactone (TAL) has the potential to serve as a bioderived platform chemical for commercial products including sorbic acid and recyclable polydiketoenamine plastics. In this study, we leveraged BioSTEAM to design, simulate, and evaluate (via techno-economic analysis, TEA, and life cycle assessment, LCA) TAL production from sugarcane. We experimentally characterized TAL solubility, calibrated solubility models, and designed a process to separate TAL from fermentation broths by crystallization. The biorefinery could produce TAL at a minimum product selling price (MPSP) of $\$3.73$–5.86·kg –1 (5th–95th percentiles; baseline at $\$4.60$·kg –1 ) and a carbon intensity (CI) of 5.31 [2.60–8.71] kg CO 2 -eq·kg –1 , which could enable financially viable, low-CI production of sorbic acid and polydiketoenamines. To drive down costs and CI, we explored the theoretical fermentation space (titer, yield, productivity combinations), operation scheduling and capacity expansion strategies (e.g., integrated sorghum processing), and potential separation improvements (mitigating TAL loss through pH control). Advancements in key design and technological parameters could further reduce MPSP by 51% to $\$2.26$·kg –1 [$\$1.97$–2.80·kg –1 ] and CI by 43% to 3.05 [1.91–4.15] kg CO 2 -eq·kg –1 . This research highlights the ability of agile TEA-LCA to screen promising designs, navigate sustainability trade-offs, prioritize research needs, and chart quantitative roadmaps to advance bioproducts and biofuels.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

The Origin of Palimpsests

Palimpsests are the most enigmatic impact features observed on icy worlds of the Solar System. Palimpsests are large impact features which are bright, old, mostly flat, and roughly circular. They range from >150 to ~350 km in diameter and sometimes exhibit recognizable associated radial secondary ejecta crater strings beyond their rims. Curiously, among all the Solar System's icy worlds, palimpsests are exclusively seen on the icy Galilean moons. Palimpsests are obviously different than similarly sized impact features seen on other icy satellites. For example, Evander, a 350 km diameter peak-ring impact basin on Saturn’s moon Dione, has a very low depth/diameter ratio of 0.008, indicating significant viscous relaxation. Nevertheless, it still retains short wavelength topography including a prominent central peak, peak ring, and a continuous rim, none of which are seen at palimpsests. Palimpsests display an approximately circular, and dominating, expanse of undulating plains, which is level with surrounding terrain and shows no recognizable rim. At the center of palimpsests are smooth central plains that are enclosed by a low scarp. Central plains material superposes the surrounding undulating plains and is littered with small blocks reminiscent of “small chaos” on Europa. Palimpsests have yet to be explored using modern impact simulation tools. We have begun to investigate two competing hypotheses: (A) Palimpsests form on targets which have a preexisting near-subsurface layer that is liquid or solid but very weak, and is excavated as proximal ejecta; or (B) They form in a solid ice target underlain by a steep thermal gradient that strongly influences the resulting impact feature, including the production of impact-induced melting at depth that is then a major component of proximal ejecta. Our results will have profound implications for the early thermal history of the icy Galilean satellites. We will test our two hypotheses for the formation of palimpsests on Ganymede (where they are both best observed and preserved) by means of 2D iSALE hydrodynamic simulations of impacts into ice targets that will be structured according to the scenarios for each hypothesis, with select runs in 3D. We have already conducted a pilot study using 2D iSALE that has yielded promising results, which we will report out at the meeting.

palimpsests

Optimal experimental design using eigenvalue-based criteria with Pyomo.DoE

New developments in automated optimal experimental design within the PSE+ software ecosystem. Advancements in user experience (to reduce the time taken to perform optimal experiment design) and computational capabilities (allowing more diverse experimental design) are shown with an example relevant to critical minerals and materials. Also, a small tutorial on science-based optimal experimental design and novel contributions therein are presented.

97 MATHEMATICS AND COMPUTING

Design and Analysis of Battery Thermal Management Systems

Thermal management of battery cell packs is a critically needed technology. The purpose of this work is to design new and improved Battery Thermal Management Systems (BTMS) for use in electric airplanes. The BTMS should be 3D printable and hold twelve to sixteen 18650 batteries. To minimize aircraft’s weight, an actively air-cooled battery pack was chosen to avoid the excess weight of water-cooled and phase change material (PCM) cooled packs. As a result, significant changes were made to remove all metal in the pack and replace it with lower density polymer matrix composites (PMCs) which can be additively manufactured. Two air cooled battery pack configurations (traditional propeller fans & bladeless fans) were designed, modeled, and compared. These packs were first modeled in SolidWorks 2021 3D CAD, then imported into COMSOL MultiPhysics to be studied using the “Heat Transfer in Solids and Fluids” module. The design with the bladeless fans eliminated the need to use high conductivity heavy metal to remove unwanted thermal energy. These bladeless fans were designed entirely out of PMCs. This thermal pack design weighs 0.04 kg less than that of the traditional propeller fans design and has increased the battery pack energy density by 8.25 Wh/kg.

Thermal Management System for Battery Packs

Airports as Energy Nodes Activity Summary

Advanced aircraft concepts that use non-traditional aviation energy storage methods such as batteries or cryogenic hydrogen are in development and expected to enter regular service at airports worldwide within the next decade. The energy needs for these aircraft may quickly overwhelm the existing energy infrastructure at airports, particularly at smaller and more remote facilities. Without energy upgrades, these airports will not be able to host these advanced vehicles, but without the advanced vehicle traffic, these airports will not have the rationale or funding to build up their energy infrastructure. The Airports as Energy Nodes (ÆNodes) activity, a collaboration between the National Aeronautics and Space Administration (NASA) and the National Renewable Energy Laboratory (NREL), was executed to understand and model the energy needs that advanced aircraft concepts may levy on these smaller airports, determine cost-effective approaches to enhance the airport energy infrastructure, and demonstrate the enhanced resilience of these energy infrastructure upgrades to the airport and surrounding community via “digital twin” simulation at relevant energy and dynamic time scales. The ÆNodes team also investigated future reference aircraft designs and materials to enable cryogenic hydrogen storage for aircraft. The ÆNodes team conducted analysis at two U.S. airport partner sites — Winchester Regional Airport in Winchester, Virginia, and Tweed/New Haven Airport in New Haven, Connecticut. The goal of this partnership was to develop data and reference infrastructure designs that could accommodate advanced aircraft in the future at these airports while also enhancing the resiliency of the energy supply to the surrounding airport community, which could be used to capture funding to enable the infrastructure upgrades. Over the course of the study, a method was developed to estimate air traffic requiring advanced energy services over the course of a year using a mix of historical data and companion studies on advanced aircraft transportation networks. The study has concluded at NASA but continues at NREL, who will develop a final report discussing the energy infrastructure upgrades and digital twin results. Preliminary results indicate that unrestricted adoption of advanced battery-electric aircraft may double traffic at these airports and increase peak daily power usage by an order of magnitude, while increase electricity energy needs by a factor of two to four. The infrastructure upgrades necessary to accommodate these increased energy needs could be used to provide enhanced energy services to the airport community to offset the cost and increase the utility of the upgrades, which will be described in the NREL final report.

Airports

Cosmological probes of Dark Radiation from Neutrino Mixing

Abstract Models of stepped dark radiation have recently been found to have an important impact on the anisotropies of the cosmic microwave background, aiding in easing the Hubble tension. In this work, we study models with a sector of dark radiation with a step in its abundance, which thermalizes after big bang nucleosynthesis by mixing with the standard model neutrinos. For this, we extend an earlier work which has focused on the background evolution only until the dark sector thermalizes by deriving the full background and perturbation equations of the model and implementing them in an Einstein-Boltzmann solving code. We expound on the behavior of this model, discussing the wide range of parameters that result in interesting and viable cosmologies that dynamically generate dark radiation during a range of epochs. We find that for the strongly self-coupled regime, there is no large cosmological impact for a tight prior on the mass, whereas larger mass ranges allow a smooth interpolation between a behavior close to the ΛCDM cosmological standard model and close to an additional component of strongly self-interacting dark radiation. In the weakly self-coupled regime we find that we can accommodate a parameter space relevant for the neutrino anomalies as well as one relevant to easing the Hubble tension.

Astronomy & Astrophysics

Active Learning for Rapid Targeted Synthesis of Compositionally Complex Alloys

The next generation of advanced materials is tending toward increasingly complex compositions. Synthesizing precise composition is time-consuming and becomes exponentially demanding with increasing compositional complexity. An experienced human operator does significantly better than a novice but still struggles to consistently achieve precision when synthesis parameters are coupled. The time to optimize synthesis becomes a barrier to exploring scientifically and technologically exciting compositionally complex materials. This investigation demonstrates an active learning (AL) approach for optimizing physical vapor deposition synthesis of thin-film alloys with up to five principal elements. We compared AL-based on Gaussian process (GP) and random forest (RF) models. The best performing models were able to discover synthesis parameters for a target quinary alloy in 14 iterations. We also demonstrate the capability of these models to be used in transfer learning tasks. RF and GP models trained on lower dimensional systems (i.e., ternary, quarternary) show an immediate improvement in prediction accuracy compared to models trained only on quinary samples. Furthermore, samples that only share a few elements in common with the target composition can be used for model pre-training. We believe that such AL approaches can be widely adapted to significantly accelerate the exploration of compositionally complex materials.

Chemistry

Probing the atomic dynamics of ultrafast melting with femtosecond electron diffraction

Melting is an every-day phase transition that is determined by thermodynamic parameters like temperature and pressure. In contrast, ultra-fast melting is governed by the microscopic response to a rapid energy input and, thus, can reveal the strength and dynamics of atomic bonds as well as the energy flow rate to the lattice. Accurately describing these processes remains challenging and requires detailed insights into transient states encountered. Here, we present data from femtosecond electron diffraction measurements that capture the structural evolution of copper during the ultrafast solid-to-liquid phase transformations. At absorbed energy densities 2-4 times the melting threshold, melting begins at the surface slightly below the nominal melting point followed by rapid homogeneous melting throughout the volume. Molecular dynamics simulations reproduce these observations and reveal a weak electron-lattice energy transfer rate for the given experimental conditions. Both simulations and experiments show no indications of rapid lattice collapse when its temperature surpasses proposed limits of superheating, providing evidence that the inherent dynamics limits the speed of disordering in ultrafast melting of metals.

FOS: Physical sciences

Integrated Magnetics for Multiport Inductive and Conductive Power Transfer Architecture for Electric Vehicles

This paper proposes a shared magnetic arrangement for an electric-vehicle charger that supports both conductive and inductive charging while preserving independent power control at the two ports. In the proposed implementation, the high-frequency transformer used for the conductive path and the resonant inductor required by the inductive path are realized in an integrated form. By combining the magnetic structure and primary-side converter hardware, the charger can deliver improved hardware utilization and higher power density without a corresponding increase in cost or implementation complexity. The paper describes the magnetic realization and presents finite-element and circuit-level simulation results to confirm minimal interaction between the two charging paths. The study demonstrates that the proposed charger is a viable option for flexible, high-power EV charging systems.

Mukherjee, Subho [ORNL] (ORCID:0009000672297925)

Boundary Layer Analysis of Shock Tube Flows

Shock tubes offer a controlled environment to reproduce kinetic and radiative phenomena characteristic of atmospheric entry flows under ground-test conditions. The boundary layer developing behind the incident shock wave determines the available test time, influences particle residence times important for similarity scaling, and can affect radiative energy transport. In this study, we couple a quasi-1D space marcher with the compressible boundary-layer equations to numerically compute the post-shock flow in a shock frame of reference for various test gas mixtures representative of different planetary atmospheres. The solvers are individually verified against CFD simulations and analytical correlations available in the literature. Coupled solutions are computed for a finite-rate chemistry in the boundary layer and a non-catalytic isothermal wall. Results yield refined estimates of the maximum separation distance, as well as insights into concentration profiles of relevant species within the boundary layer.

Andrea Fagnani